1H-indazole-3-carboxylic acid;N-methoxymethanamine

C10H13N3O3 — CID 87675223

IUPAC1H-indazole-3-carboxylic acid;N-methoxymethanamine
SMILESCNOC.O=C(O)c1n[nH]c2ccccc12
InChIInChI=1S/C8H6N2O2.C2H7NO/c11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-3-4-2/h1-4H,(H,9,10)(H,11,12);3H,1-2H3
InChIKeyAFFVXBOQCOZYIV-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.03
Rot. Bonds2

About 1H-indazole-3-carboxylic acid;N-methoxymethanamine

1H-indazole-3-carboxylic acid;N-methoxymethanamine (PubChem CID 87675223) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1H-indazole-3-carboxylic acid;N-methoxymethanamine.

Molecular Properties

Compound Name1H-indazole-3-carboxylic acid;N-methoxymethanamine
PubChem CID87675223
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1H-indazole-3-carboxylic acid;N-methoxymethanamine
SMILESCNOC.O=C(O)c1n[nH]c2ccccc12
InChIInChI=1S/C8H6N2O2.C2H7NO/c11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-3-4-2/h1-4H,(H,9,10)(H,11,12);3H,1-2H3
InChIKeyAFFVXBOQCOZYIV-UHFFFAOYSA-N
XLogP1.03
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole-3-carboxylic acid;N-methoxymethanamine?
The IUPAC name of 1H-indazole-3-carboxylic acid;N-methoxymethanamine (CID 87675223) is 1H-indazole-3-carboxylic acid;N-methoxymethanamine.
What is the SMILES notation for 1H-indazole-3-carboxylic acid;N-methoxymethanamine?
The canonical SMILES for 1H-indazole-3-carboxylic acid;N-methoxymethanamine is CNOC.O=C(O)c1n[nH]c2ccccc12.
What is the InChIKey of 1H-indazole-3-carboxylic acid;N-methoxymethanamine?
The InChIKey is AFFVXBOQCOZYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.C2H7NO/c11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-3-4-2/h1-4H,(H,9,10)(H,11,12);3H,1-2H3.
What are the key properties of 1H-indazole-3-carboxylic acid;N-methoxymethanamine?
1H-indazole-3-carboxylic acid;N-methoxymethanamine has a molecular weight of 223.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-3-carboxylic acid;N-methoxymethanamine is sourced from PubChem (CID 87675223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).